ChemicalBook--->CAS DataBase List--->6095-82-5

6095-82-5

6095-82-5 Structure

6095-82-5 Structure
IdentificationMore
[Name]

2,4,6-TRIMETHYLPHENYL ISOTHIOCYANATE
[CAS]

6095-82-5
[Synonyms]

2,4,6-TRIMETHYLPHENYL ISOTHIOCYANATE
MESITYL ISOTHIOCYANATE
2-Isothiocyanato-1,3,5-trimethylbenzene
2,4,6-Trimethylphenyl isothiocyanate 97%
Isothiocyanatomesitylene
[Molecular Formula]

C10H11NS
[MDL Number]

MFCD00022055
[Molecular Weight]

177.27
[MOL File]

6095-82-5.mol
Chemical PropertiesBack Directory
[Melting point ]

63-64°C
[Boiling point ]

144-145°C 10mm
[density ]

1.00±0.1 g/cm3(Predicted)
[Fp ]

144-145°C/10mm
[storage temp. ]

RT, stored under nitrogen
[solubility ]

soluble in Toluene
[form ]

powder to crystal
[color ]

White to Orange to Green
[Sensitive ]

Moisture Sensitive
[BRN ]

2690815
[InChI]

InChI=1S/C10H11NS/c1-7-4-8(2)10(11-6-12)9(3)5-7/h4-5H,1-3H3
[InChIKey]

KKYMYPLVBCVDPL-UHFFFAOYSA-N
[SMILES]

C1(C)=CC(C)=CC(C)=C1N=C=S
[CAS DataBase Reference]

6095-82-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

2811
[Hazard Note ]

Toxic
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29420000
Hazard InformationBack Directory
[Synthesis Reference(s)]

Synthesis, p. 378, 1971 DOI: 10.1055/s-1971-21747
Spectrum DetailBack Directory
[Spectrum Detail]

2,4,6-TRIMETHYLPHENYL ISOTHIOCYANATE(6095-82-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Mesityl isothiocyanate, 97%(6095-82-5)
[Alfa Aesar]

2,4,6-Trimethylphenyl isothiocyanate, 96%(6095-82-5)
[Sigma Aldrich]

6095-82-5(sigmaaldrich)
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